2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid

C13H16N2O5S — CID 62694827

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H16N2O5S/c1-8(16)14-10-4-6-11(7-5-10)21(19,20)15-12(13(17)18)9-2-3-9/h4-7,9,12,15H,2-3H2,1H3,(H,14,16)(H,17,18)
InChIKeyUTWZLAAMFSUBFX-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.79
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid

2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid (PubChem CID 62694827) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
PubChem CID62694827
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H16N2O5S/c1-8(16)14-10-4-6-11(7-5-10)21(19,20)15-12(13(17)18)9-2-3-9/h4-7,9,12,15H,2-3H2,1H3,(H,14,16)(H,17,18)
InChIKeyUTWZLAAMFSUBFX-UHFFFAOYSA-N
XLogP0.79
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
CID 6942072
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 7448579
2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 62695399
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoate
CID 7314858
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid (CID 62694827) is 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid is CC(=O)Nc1ccc(S(=O)(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid?
The InChIKey is UTWZLAAMFSUBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-8(16)14-10-4-6-11(7-5-10)21(19,20)15-12(13(17)18)9-2-3-9/h4-7,9,12,15H,2-3H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid?
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid has a molecular weight of 312.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62694827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).